Ro01-6128

Ro01-6128
Identifiers
	IUPAC name ethyl diphenylacetylcarbamate;
CAS Number	302841-86-7;
PubChem CID	9903898;
IUPHAR/BPS	1386;
ChemSpider	8079552;
UNII	N4LS35GV3Q;
CompTox Dashboard (EPA)	DTXSID701028585 ;
Chemical and physical data
Formula	C17H17NO3
Molar mass	283.327 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES c2ccccc2C(C(=O)NC(=O)OCC)c1ccccc1;
	InChI InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20); Key:ILSZPWZFQHSKLW-UHFFFAOYSA-N;
	(verify)

Ro01-6128 is a drug used in scientific research, which acts as a selective positive allosteric modulator for the metabotropic glutamate receptor subtype mGluR₁.^[1]^[2]^[3] It was derived by modification of a lead compound found via high-throughput screening, and was further developed to give the improved compound Ro67-4853.^[4]

References

^ Knoflach F, Mutel V, Jolidon S, Kew JN, Malherbe P, Vieira E, Wichmann J, Kemp JA (November 2001). "Positive allosteric modulators of metabotropic glutamate 1 receptor: characterization, mechanism of action, and binding site". Proceedings of the National Academy of Sciences of the United States of America. 98 (23): 13402–7. Bibcode:2001PNAS...9813402K. doi:10.1073/pnas.231358298. PMC 60883. PMID 11606768.
^ Hemstapat K, de Paulis T, Chen Y, Brady AE, Grover VK, Alagille D, Tamagnan GD, Conn PJ (August 2006). "A novel class of positive allosteric modulators of metabotropic glutamate receptor subtype 1 interact with a site distinct from that of negative allosteric modulators". Molecular Pharmacology. 70 (2): 616–26. doi:10.1124/mol.105.021857. PMID 16645124. S2CID 2719603.
^ Sheffler DJ, Conn PJ (September 2008). "Allosteric potentiators of metabotropic glutamate receptor subtype 1a differentially modulate independent signaling pathways in baby hamster kidney cells". Neuropharmacology. 55 (4): 419–27. doi:10.1016/j.neuropharm.2008.06.047. PMC 2600811. PMID 18625258.
^ Wichmann J, Bleicher K, Vieira E, Woltering T, Knoflach F, Mutel V (December 2002). "Alkyl diphenylacetyl, 9H-xanthene- and 9H-thioxanthene-carbonyl carbamates as positive allosteric modulators of mGlu1 receptors". Farmaco. 57 (12): 989–92. doi:10.1016/s0014-827x(02)01283-1. PMID 12564473.

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Identifiers

IUPAC name ethyl diphenylacetylcarbamate
CAS Number	302841-86-7
PubChem CID	9903898
IUPHAR/BPS	1386
ChemSpider	8079552
UNII	N4LS35GV3Q
CompTox Dashboard (EPA)	DTXSID701028585
Chemical and physical data
Formula	C₁₇H₁₇NO₃
Molar mass	283.327 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES c2ccccc2C(C(=O)NC(=O)OCC)c1ccccc1
InChI InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20) Key:ILSZPWZFQHSKLW-UHFFFAOYSA-N
(verify)